From 00ab02553934087e7857f8074c97a6a473cd7b7f Mon Sep 17 00:00:00 2001 From: Francois Berenger Date: Wed, 28 Jul 2021 15:57:56 +0900 Subject: [PATCH 1/6] new file: packages/fasmifra/fasmifra.1.0.0/opam --- packages/fasmifra/fasmifra.1.0.0/opam | 37 +++++++++++++++++++++++++++ 1 file changed, 37 insertions(+) create mode 100644 packages/fasmifra/fasmifra.1.0.0/opam diff --git a/packages/fasmifra/fasmifra.1.0.0/opam b/packages/fasmifra/fasmifra.1.0.0/opam new file mode 100644 index 00000000000..dc046ee70e6 --- /dev/null +++ b/packages/fasmifra/fasmifra.1.0.0/opam @@ -0,0 +1,37 @@ +opam-version: "2.0" +authors: "Francois Berenger" +maintainer: "unixjunkie@sdf.org" +homepage: "https://github.com/UnixJunkie/FASMIFRA" +bug-reports: "https://github.com/UnixJunkie/FASMIFRA/issues" +dev-repo: "git+https://github.com/UnixJunkie/FASMIFRA.git" +license: "GPL" +build: ["dune" "build" "-p" name "-j" jobs] +install: [ + ["cp" "bin/fasmifra_fragment.py" "%{bin}%/fasmifra_fragment.py"] +] +depends: [ + "base-unix" + "batteries" + "dolog" {>= "6.0.0"} + "dune" {>= "1.11"} + "minicli" {>= "5.0.0"} + "ocaml" + "parany" + "str" + "line_oriented" + "conf-rdkit" + "conf-python-3" +] +synopsis: "Molecular Generation by Fast Assembly of SMILES Fragments" +description: """ +Generate molecules fast given a molecular training set. + +Properties of the generated molecules might significantly match +those of the training set (training set distribution matching). + +Reference implementation for a submitted manuscript. +""" +url { + src: "https://github.com/UnixJunkie/FASMIFRA/archive/refs/tags/v1.0.0.tar.gz" + checksum: "md5=1d3472c14c89a0523a9ae21ad86fbe48" +} From ef204203bccb199c20f3d9f91fd74c26cf03e690 Mon Sep 17 00:00:00 2001 From: Kate Date: Wed, 28 Jul 2021 10:06:50 +0100 Subject: [PATCH 2/6] farmifra.1.0.0: Remove non-existant dependency + Fix license name to match the SPDX format --- packages/fasmifra/fasmifra.1.0.0/opam | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/packages/fasmifra/fasmifra.1.0.0/opam b/packages/fasmifra/fasmifra.1.0.0/opam index dc046ee70e6..b7a1ad52df5 100644 --- a/packages/fasmifra/fasmifra.1.0.0/opam +++ b/packages/fasmifra/fasmifra.1.0.0/opam @@ -4,7 +4,7 @@ maintainer: "unixjunkie@sdf.org" homepage: "https://github.com/UnixJunkie/FASMIFRA" bug-reports: "https://github.com/UnixJunkie/FASMIFRA/issues" dev-repo: "git+https://github.com/UnixJunkie/FASMIFRA.git" -license: "GPL" +license: "GPL-3.0-or-later" build: ["dune" "build" "-p" name "-j" jobs] install: [ ["cp" "bin/fasmifra_fragment.py" "%{bin}%/fasmifra_fragment.py"] @@ -17,7 +17,6 @@ depends: [ "minicli" {>= "5.0.0"} "ocaml" "parany" - "str" "line_oriented" "conf-rdkit" "conf-python-3" From 0514b67673050a47802a755a37ee7a9cd1fae570 Mon Sep 17 00:00:00 2001 From: Francois Berenger Date: Thu, 29 Jul 2021 17:34:47 +0900 Subject: [PATCH 3/6] try a lower bound for parany --- packages/fasmifra/fasmifra.1.0.0/opam | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/packages/fasmifra/fasmifra.1.0.0/opam b/packages/fasmifra/fasmifra.1.0.0/opam index b7a1ad52df5..da474f436a3 100644 --- a/packages/fasmifra/fasmifra.1.0.0/opam +++ b/packages/fasmifra/fasmifra.1.0.0/opam @@ -16,7 +16,7 @@ depends: [ "dune" {>= "1.11"} "minicli" {>= "5.0.0"} "ocaml" - "parany" + "parany" {>= "11.0.0"} "line_oriented" "conf-rdkit" "conf-python-3" From 678abb62db994dd808edf6240f8fba54daa528c7 Mon Sep 17 00:00:00 2001 From: Francois Berenger Date: Wed, 4 Aug 2021 10:33:51 +0900 Subject: [PATCH 4/6] version lower-bounds everywhere --- packages/fasmifra/fasmifra.1.0.0/opam | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/packages/fasmifra/fasmifra.1.0.0/opam b/packages/fasmifra/fasmifra.1.0.0/opam index da474f436a3..e83e70e6235 100644 --- a/packages/fasmifra/fasmifra.1.0.0/opam +++ b/packages/fasmifra/fasmifra.1.0.0/opam @@ -11,15 +11,15 @@ install: [ ] depends: [ "base-unix" - "batteries" + "batteries" {>= "3.3.0"} "dolog" {>= "6.0.0"} "dune" {>= "1.11"} - "minicli" {>= "5.0.0"} + "minicli" {>= "5.0.2"} "ocaml" - "parany" {>= "11.0.0"} - "line_oriented" - "conf-rdkit" - "conf-python-3" + "parany" {>= "12.0.3"} + "line_oriented" {>= "1.0.0"} + "conf-rdkit" {>= "1.0.0"} + "conf-python-3" {>= "1.0.0"} ] synopsis: "Molecular Generation by Fast Assembly of SMILES Fragments" description: """ From ca595da7f6dee79dd1705f271e1b1632d4b2ccdf Mon Sep 17 00:00:00 2001 From: Marcello Seri Date: Wed, 4 Aug 2021 08:54:23 +0200 Subject: [PATCH 5/6] Apply suggestions from code review --- packages/fasmifra/fasmifra.1.0.0/opam | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/packages/fasmifra/fasmifra.1.0.0/opam b/packages/fasmifra/fasmifra.1.0.0/opam index e83e70e6235..f3aecc6fd2b 100644 --- a/packages/fasmifra/fasmifra.1.0.0/opam +++ b/packages/fasmifra/fasmifra.1.0.0/opam @@ -18,7 +18,7 @@ depends: [ "ocaml" "parany" {>= "12.0.3"} "line_oriented" {>= "1.0.0"} - "conf-rdkit" {>= "1.0.0"} + "conf-rdkit" {>= "1"} "conf-python-3" {>= "1.0.0"} ] synopsis: "Molecular Generation by Fast Assembly of SMILES Fragments" From 98babc749d957a1ca532f412c2e7ab711076c9e7 Mon Sep 17 00:00:00 2001 From: Marcello Seri Date: Wed, 4 Aug 2021 13:52:47 +0200 Subject: [PATCH 6/6] Apply suggestions from code review --- packages/fasmifra/fasmifra.1.0.0/opam | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/packages/fasmifra/fasmifra.1.0.0/opam b/packages/fasmifra/fasmifra.1.0.0/opam index f3aecc6fd2b..761c9710253 100644 --- a/packages/fasmifra/fasmifra.1.0.0/opam +++ b/packages/fasmifra/fasmifra.1.0.0/opam @@ -14,9 +14,9 @@ depends: [ "batteries" {>= "3.3.0"} "dolog" {>= "6.0.0"} "dune" {>= "1.11"} - "minicli" {>= "5.0.2"} + "minicli" {>= "5.0.0"} "ocaml" - "parany" {>= "12.0.3"} + "parany" {>= "12.0.0"} "line_oriented" {>= "1.0.0"} "conf-rdkit" {>= "1"} "conf-python-3" {>= "1.0.0"}