Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Update to 2016 09 2 #33

Merged
merged 3 commits into from
Nov 24, 2016
Merged

Update to 2016 09 2 #33

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
3 commits
Select commit Hold shift + click to select a range
11c4d82
comply with the formatting applied by #1078
rvianello Nov 17, 2016
49c4c4f
update the cartridge Makefile patch
rvianello Nov 23, 2016
1f0230c
update the release tag
rvianello Nov 23, 2016
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Jump to
Jump to file
Failed to load files.
Diff view
Diff view
16 changes: 6 additions & 10 deletions rdkit-postgresql/Makefile.patch
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
diff --git a/Code/PgSQL/rdkit/Makefile b/Code/PgSQL/rdkit/Makefile
index 73c1f1a..b6953eb 100644
--- a/Code/PgSQL/rdkit/Makefile
+++ b/Code/PgSQL/rdkit/Makefile
@@ -11,28 +11,31 @@
diff --git Code/PgSQL/rdkit/Makefile Code/PgSQL/rdkit/Makefile
index 7cce682..b6953eb 100644
--- Code/PgSQL/rdkit/Makefile
+++ Code/PgSQL/rdkit/Makefile
@@ -11,25 +11,28 @@
# -------------------------


Expand Down Expand Up @@ -34,11 +34,7 @@ index 73c1f1a..b6953eb 100644
+ THREADLIBS=-lboost_thread -lboost_system
endif

-RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral
+RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolDraw2D -lMolTransforms -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lEigenSolvers -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral

ifeq ($(STATIC_LINK),0)
SHLIB_LINK += -L${RDKIT}/lib -Wl,-rpath,'${RDKIT}/lib' ${RDKLIBS}
RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolDraw2D -lMolTransforms -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lEigenSolvers -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral
@@ -40,14 +43,11 @@ else
SHLIB_LINK += -L${RDKIT}/lib $(addsuffix _static,${RDKLIBS})
endif
Expand Down
2 changes: 1 addition & 1 deletion rdkit-postgresql/meta.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@ package:

source:
git_url: https://github.com/rdkit/rdkit.git
git_tag: Release_2016_09_1
git_tag: Release_2016_09_2
patches:
- Makefile.patch
- adapter.cpp.patch
Expand Down
16 changes: 6 additions & 10 deletions rdkit-postgresql95/Makefile.patch
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
diff --git a/Code/PgSQL/rdkit/Makefile b/Code/PgSQL/rdkit/Makefile
index 73c1f1a..b6953eb 100644
--- a/Code/PgSQL/rdkit/Makefile
+++ b/Code/PgSQL/rdkit/Makefile
@@ -11,28 +11,31 @@
diff --git Code/PgSQL/rdkit/Makefile Code/PgSQL/rdkit/Makefile
index 7cce682..b6953eb 100644
--- Code/PgSQL/rdkit/Makefile
+++ Code/PgSQL/rdkit/Makefile
@@ -11,25 +11,28 @@
# -------------------------


Expand Down Expand Up @@ -34,11 +34,7 @@ index 73c1f1a..b6953eb 100644
+ THREADLIBS=-lboost_thread -lboost_system
endif

-RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral
+RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolDraw2D -lMolTransforms -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lEigenSolvers -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral

ifeq ($(STATIC_LINK),0)
SHLIB_LINK += -L${RDKIT}/lib -Wl,-rpath,'${RDKIT}/lib' ${RDKLIBS}
RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolDraw2D -lMolTransforms -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lEigenSolvers -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral
@@ -40,14 +43,11 @@ else
SHLIB_LINK += -L${RDKIT}/lib $(addsuffix _static,${RDKLIBS})
endif
Expand Down
2 changes: 1 addition & 1 deletion rdkit-postgresql95/meta.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@ package:

source:
git_url: https://github.com/rdkit/rdkit.git
git_tag: Release_2016_09_1
git_tag: Release_2016_09_2
patches:
- Makefile.patch
- adapter.cpp.patch
Expand Down
2 changes: 1 addition & 1 deletion rdkit/meta.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@ package:

source:
git_url: https://github.com/rdkit/rdkit.git
git_tag: Release_2016_09_1
git_tag: Release_2016_09_2
patches:
- rdpaths.patch
- rdconfig.patch [win]
Expand Down
12 changes: 6 additions & 6 deletions rdkit/rdconfig.patch
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4,16 +4,16 @@ index 9b685e2..7d022d5 100755
+++ rdkit/RDConfig.py
@@ -25,11 +25,11 @@ elif 'CONDA_DEFAULT_ENV' in os.environ:
# we are running in a conda environ.
RDCodeDir=os.path.dirname(__file__)
RDCodeDir = os.path.dirname(__file__)
splitdir = RDCodeDir.split(os.path.sep)
- condaDir = splitdir[:-4]
+ condaDir = splitdir[:-3]
if condaDir[0]=='':
if condaDir[0] == '':
condaDir[0] = os.path.sep
- condaDir += ['share','RDKit']
- condaDir += ['share', 'RDKit']
- _share = os.path.join(*condaDir)
+ condaDir += ['Library','share','RDKit']
+ _share = os.path.sep.join(condaDir)
RDDataDir=os.path.join(_share,'Data')
RDDocsDir=os.path.join(_share,'Docs')
RDProjDir=os.path.join(_share,'Projects')
RDDataDir = os.path.join(_share, 'Data')
RDDocsDir = os.path.join(_share, 'Docs')
RDProjDir = os.path.join(_share, 'Projects')